1-butyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid hydrochloride

Systemtic Name: 1-butyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid hydrochloride Openeye Name: 1-butyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid hydrochloride CAS Name: 1-butyl-3-(1-pyrrolidinyl)-9H-xanthene-9-carboxylic acid hydrochloride IUPAC Name: 1-butyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid hydrochloride Traditional Name: 1-butyl-3-pyrrolidino-9H-xanthene-9-carboxylic acid hydrochloride Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC2=C1C(C3=CC=CC=C3O2)C(=O)O)N4CCCC4.Cl

Isomeric SMILES

CCCCC1=CC(=CC2=C1C(C3=CC=CC=C3O2)C(=O)O)N4CCCC4.Cl

InChI

InChI=1S/C22H25NO3.ClH/c1-2-3-8-15-13-16(23-11-6-7-12-23)14-19-20(15)21(22(24)25)17-9-4-5-10-18(17)26-19;/h4-5,9-10,13-14,21H,2-3,6-8,11-12H2,1H3,(H,24,25);1H